iterations/neb0_image08_iter15_CONTCAR output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
No title
1.00000000000000
30.0000000000000000 0.0000000000000000 0.0000000000000000
0.0000000000000000 20.0000000000000000 0.0000000000000000
0.0000000000000000 0.0000000000000000 15.0000000000000000
C Si O N H
6 10 8 6 42
Direct
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0.3749787100000006 0.4166346000000019 0.5699730799999969
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0.5601780200000022 0.3888624100000015 0.2623628300000007
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0.5004056599999984 0.4249900599999989 0.4160537599999969
0.5148619499999967 0.4197224300000002 0.5287163200000009
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0.5965370699999966 0.5875565899999984 0.2673390900000001
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